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Varenicline Tartrate

CAT: 0572-TRC-V098490-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-V098490-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
375815-87-5
Synonyms
6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-, (2R,3R)-2,3-dihydroxybutanedioate (1:1); CP 526555-18; Varenicline Tartrate
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
O[C@H]([C@@H](O)C(=O)O)C(=O)O.C1NC[C@H]2C[C@@H]1c3cc4nccnc4cc23
Molecular Formula
C13 H13 N3 . C4 H6 O6
Molecular Weight
361.35
InChI
InChI=1S/C13H13N3.C4H6O6/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1;5-1(3(7)8)2(6)4(9)10/h1-2,4-5,8-9,14H,3,6-7H2;1-2,5-6H,(H,7,8)(H,9,10)/t8-,9+;1-,2-/m.1/s1
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Varenicline Tartrate

Varenicline is a prescription medication used to treat smoking addiction. This medication is the first approved nicotinic receptor partial agonist. Specifically, varenicline is a partial agonist of the alpha4/beta2 subtype of the nicotinic acetylcholine receptor. In addition it acts on alpha3/beta4 and weakly on alpha3beta2 and alpha6-containing receptors. A full agonism was displayed on alpha7-receptors.

CAS Number375815-87-5
PubChem CID6918678
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioic acid;(1S,12R)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
Molecular FormulaC17H19N3O6
Molecular Weight361.3
Topological Polar Surface Area153
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity388
SMILES
C1[C@@H]2CNC[C@H]1C3=CC4=NC=CN=C4C=C23.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C13H13N3.C4H6O6/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1;5-1(3(7)8)2(6)4(9)10/h1-2,4-5,8-9,14H,3,6-7H2;1-2,5-6H,(H,7,8)(H,9,10)/t8-,9+;1-,2-/m.1/s1
InChIKey
TWYFGYXQSYOKLK-CYUSMAIQSA-N
Chemical Structure
2D Structure
2D structure of Varenicline Tartrate
CAS: 375815-87-5
CID: 6918678
Formula: C17H19N3O6
MW: 361.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass361.12738533
Monoisotopic Mass361.12738533
Topological Polar Surface Area153 Ų
Heavy Atom Count26
Formal Charge0
Complexity388
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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